USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 128 hydrogens (3 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 26:sc= 0.201 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 127 -2.996 -2.998 3.285 1.00 0.00 C HETATM 2 O ACE A 127 -1.931 -2.821 3.883 1.00 0.00 O HETATM 3 CH3 ACE A 127 -4.316 -3.020 4.053 1.00 0.00 C HETATM 0 H1 ACE A 127 -4.966 -2.228 3.682 1.00 0.00 H new HETATM 0 H2 ACE A 127 -4.803 -3.985 3.912 1.00 0.00 H new HETATM 0 H3 ACE A 127 -4.122 -2.863 5.114 1.00 0.00 H new ATOM 7 N LYS A 128 -3.090 -3.176 1.957 1.00 0.00 N ATOM 8 CA LYS A 128 -1.907 -3.200 1.051 1.00 0.00 C ATOM 9 C LYS A 128 -1.489 -1.749 0.663 1.00 0.00 C ATOM 10 O LYS A 128 -2.114 -1.104 -0.182 1.00 0.00 O ATOM 11 CB LYS A 128 -2.176 -4.115 -0.182 1.00 0.00 C ATOM 12 CG LYS A 128 -3.422 -3.814 -1.059 1.00 0.00 C ATOM 13 CD LYS A 128 -3.641 -4.776 -2.244 1.00 0.00 C ATOM 14 CE LYS A 128 -4.128 -6.181 -1.839 1.00 0.00 C ATOM 15 NZ LYS A 128 -4.379 -7.024 -3.021 1.00 0.00 N ATOM 0 H LYS A 128 -3.979 -3.308 1.474 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.058 -3.637 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.297 -4.074 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -2.261 -5.141 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -4.308 -3.839 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -3.336 -2.799 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -4.368 -4.335 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.706 -4.873 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.382 -6.657 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -5.041 -6.096 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -4.705 -7.963 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -5.108 -6.581 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.501 -7.125 -3.569 1.00 0.00 H new ATOM 28 N CYS A 129 -0.434 -1.248 1.325 1.00 0.00 N ATOM 29 CA CYS A 129 0.085 0.139 1.140 1.00 0.00 C ATOM 30 C CYS A 129 1.468 0.154 0.429 1.00 0.00 C ATOM 31 O CYS A 129 1.620 0.826 -0.593 1.00 0.00 O ATOM 32 CB CYS A 129 0.097 0.854 2.506 1.00 0.00 C ATOM 33 SG CYS A 129 -1.580 0.947 3.175 1.00 0.00 S ATOM 0 H CYS A 129 0.094 -1.788 2.010 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.578 0.689 0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 129 0.744 0.318 3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 129 0.509 1.857 2.396 1.00 0.00 H new ATOM 38 N THR A 130 2.464 -0.578 0.961 1.00 0.00 N ATOM 39 CA THR A 130 3.787 -0.763 0.302 1.00 0.00 C ATOM 40 C THR A 130 3.685 -2.028 -0.600 1.00 0.00 C ATOM 41 O THR A 130 3.484 -3.143 -0.102 1.00 0.00 O ATOM 42 CB THR A 130 4.958 -0.895 1.326 1.00 0.00 C ATOM 43 OG1 THR A 130 4.706 -1.931 2.273 1.00 0.00 O ATOM 44 CG2 THR A 130 5.247 0.398 2.109 1.00 0.00 C ATOM 0 H THR A 130 2.383 -1.060 1.856 1.00 0.00 H new ATOM 0 HA THR A 130 4.020 0.121 -0.292 1.00 0.00 H new ATOM 0 HB THR A 130 5.830 -1.129 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.108 -2.599 1.876 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.073 0.228 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 130 5.514 1.193 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 130 4.359 0.690 2.669 1.00 0.00 H new ATOM 52 N SER A 131 3.827 -1.847 -1.928 1.00 0.00 N ATOM 53 CA SER A 131 3.791 -2.972 -2.911 1.00 0.00 C ATOM 54 C SER A 131 5.084 -3.840 -2.781 1.00 0.00 C ATOM 55 O SER A 131 4.996 -4.975 -2.303 1.00 0.00 O ATOM 56 CB SER A 131 3.545 -2.415 -4.335 1.00 0.00 C ATOM 57 OG SER A 131 2.280 -1.767 -4.427 1.00 0.00 O ATOM 0 H SER A 131 3.969 -0.932 -2.356 1.00 0.00 H new ATOM 0 HA SER A 131 2.958 -3.642 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.336 -1.711 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.593 -3.228 -5.059 1.00 0.00 H new ATOM 0 HG SER A 131 2.153 -1.424 -5.336 1.00 0.00 H new ATOM 63 N ASP A 132 6.261 -3.292 -3.145 1.00 0.00 N ATOM 64 CA ASP A 132 7.584 -3.878 -2.798 1.00 0.00 C ATOM 65 C ASP A 132 8.098 -3.012 -1.603 1.00 0.00 C ATOM 66 O ASP A 132 7.959 -3.434 -0.451 1.00 0.00 O ATOM 67 CB ASP A 132 8.473 -3.943 -4.072 1.00 0.00 C ATOM 68 CG ASP A 132 9.838 -4.607 -3.850 1.00 0.00 C ATOM 69 OD1 ASP A 132 10.869 -3.976 -3.622 1.00 0.00 O ATOM 70 OD2 ASP A 132 9.770 -5.975 -3.931 1.00 0.00 O ATOM 0 H ASP A 132 6.328 -2.431 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 132 7.571 -4.917 -2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.937 -4.489 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 132 8.630 -2.931 -4.445 1.00 0.00 H new ATOM 76 N GLN A 133 8.640 -1.806 -1.874 1.00 0.00 N ATOM 77 CA GLN A 133 8.927 -0.783 -0.838 1.00 0.00 C ATOM 78 C GLN A 133 8.461 0.554 -1.482 1.00 0.00 C ATOM 79 O GLN A 133 9.241 1.234 -2.158 1.00 0.00 O ATOM 80 CB GLN A 133 10.425 -0.825 -0.431 1.00 0.00 C ATOM 81 CG GLN A 133 10.770 0.114 0.748 1.00 0.00 C ATOM 82 CD GLN A 133 12.254 0.065 1.145 1.00 0.00 C ATOM 83 OE1 GLN A 133 13.097 0.733 0.547 1.00 0.00 O ATOM 84 NE2 GLN A 133 12.605 -0.717 2.155 1.00 0.00 N ATOM 0 H GLN A 133 8.892 -1.511 -2.817 1.00 0.00 H new ATOM 0 HA GLN A 133 8.404 -0.942 0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 133 10.692 -1.847 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 133 11.035 -0.553 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.506 1.137 0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.160 -0.157 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 133 11.898 -1.267 2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 133 13.582 -0.770 2.444 1.00 0.00 H new ATOM 93 N ASP A 134 7.168 0.892 -1.296 1.00 0.00 N ATOM 94 CA ASP A 134 6.532 2.058 -1.969 1.00 0.00 C ATOM 95 C ASP A 134 5.842 2.942 -0.896 1.00 0.00 C ATOM 96 O ASP A 134 4.651 2.795 -0.602 1.00 0.00 O ATOM 97 CB ASP A 134 5.528 1.568 -3.054 1.00 0.00 C ATOM 98 CG ASP A 134 6.178 1.022 -4.334 1.00 0.00 C ATOM 99 OD1 ASP A 134 6.322 1.694 -5.355 1.00 0.00 O ATOM 100 OD2 ASP A 134 6.568 -0.286 -4.208 1.00 0.00 O ATOM 0 H ASP A 134 6.537 0.375 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 134 7.286 2.659 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.899 0.789 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.871 2.396 -3.322 1.00 0.00 H new ATOM 106 N GLU A 135 6.610 3.892 -0.330 1.00 0.00 N ATOM 107 CA GLU A 135 6.094 4.864 0.679 1.00 0.00 C ATOM 108 C GLU A 135 5.222 5.981 0.023 1.00 0.00 C ATOM 109 O GLU A 135 4.091 6.194 0.470 1.00 0.00 O ATOM 110 CB GLU A 135 7.268 5.470 1.498 1.00 0.00 C ATOM 111 CG GLU A 135 7.993 4.455 2.413 1.00 0.00 C ATOM 112 CD GLU A 135 9.149 5.082 3.196 1.00 0.00 C ATOM 113 OE1 GLU A 135 10.316 5.072 2.806 1.00 0.00 O ATOM 114 OE2 GLU A 135 8.731 5.649 4.374 1.00 0.00 O ATOM 0 H GLU A 135 7.598 4.015 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 135 5.443 4.319 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 135 7.993 5.902 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.885 6.286 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.276 4.027 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.374 3.634 1.806 1.00 0.00 H new ATOM 122 N GLN A 136 5.719 6.661 -1.034 1.00 0.00 N ATOM 123 CA GLN A 136 4.928 7.666 -1.805 1.00 0.00 C ATOM 124 C GLN A 136 3.806 7.084 -2.734 1.00 0.00 C ATOM 125 O GLN A 136 2.879 7.831 -3.061 1.00 0.00 O ATOM 126 CB GLN A 136 5.898 8.540 -2.651 1.00 0.00 C ATOM 127 CG GLN A 136 6.835 9.465 -1.837 1.00 0.00 C ATOM 128 CD GLN A 136 7.737 10.340 -2.723 1.00 0.00 C ATOM 129 OE1 GLN A 136 7.338 11.413 -3.176 1.00 0.00 O ATOM 130 NE2 GLN A 136 8.962 9.910 -2.986 1.00 0.00 N ATOM 0 H GLN A 136 6.670 6.536 -1.380 1.00 0.00 H new ATOM 0 HA GLN A 136 4.397 8.251 -1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.510 7.882 -3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.308 9.155 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.233 10.108 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.459 8.856 -1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.283 9.020 -2.606 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.585 10.469 -3.569 1.00 0.00 H new ATOM 139 N PHE A 137 3.869 5.798 -3.142 1.00 0.00 N ATOM 140 CA PHE A 137 2.830 5.149 -3.982 1.00 0.00 C ATOM 141 C PHE A 137 2.043 4.151 -3.087 1.00 0.00 C ATOM 142 O PHE A 137 2.618 3.240 -2.485 1.00 0.00 O ATOM 143 CB PHE A 137 3.496 4.461 -5.217 1.00 0.00 C ATOM 144 CG PHE A 137 2.550 3.575 -6.061 1.00 0.00 C ATOM 145 CD1 PHE A 137 1.615 4.152 -6.927 1.00 0.00 C ATOM 146 CD2 PHE A 137 2.540 2.186 -5.869 1.00 0.00 C ATOM 147 CE1 PHE A 137 0.677 3.355 -7.580 1.00 0.00 C ATOM 148 CE2 PHE A 137 1.600 1.393 -6.521 1.00 0.00 C ATOM 149 CZ PHE A 137 0.668 1.978 -7.374 1.00 0.00 C ATOM 0 H PHE A 137 4.641 5.177 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 137 2.127 5.881 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.917 5.233 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.328 3.849 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 137 1.620 5.220 -7.090 1.00 0.00 H new ATOM 0 HD2 PHE A 137 3.265 1.729 -5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -0.044 3.806 -8.246 1.00 0.00 H new ATOM 0 HE2 PHE A 137 1.594 0.324 -6.365 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.063 1.363 -7.877 1.00 0.00 H new ATOM 159 N ILE A 138 0.710 4.313 -3.074 1.00 0.00 N ATOM 160 CA ILE A 138 -0.217 3.364 -2.398 1.00 0.00 C ATOM 161 C ILE A 138 -1.163 2.762 -3.500 1.00 0.00 C ATOM 162 O ILE A 138 -1.758 3.538 -4.259 1.00 0.00 O ATOM 163 CB ILE A 138 -0.982 3.979 -1.172 1.00 0.00 C ATOM 164 CG1 ILE A 138 -1.877 5.226 -1.466 1.00 0.00 C ATOM 165 CG2 ILE A 138 0.017 4.307 -0.031 1.00 0.00 C ATOM 166 CD1 ILE A 138 -3.357 4.912 -1.739 1.00 0.00 C ATOM 0 H ILE A 138 0.238 5.096 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 138 0.360 2.564 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 138 -1.686 3.200 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.816 5.907 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.468 5.753 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.523 4.733 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.522 3.394 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 138 0.755 5.025 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.896 5.839 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -3.436 4.259 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.790 4.415 -0.871 1.00 0.00 H new ATOM 178 N PRO A 139 -1.351 1.414 -3.636 1.00 0.00 N ATOM 179 CA PRO A 139 -2.271 0.811 -4.637 1.00 0.00 C ATOM 180 C PRO A 139 -3.772 0.829 -4.195 1.00 0.00 C ATOM 181 O PRO A 139 -4.138 1.360 -3.138 1.00 0.00 O ATOM 182 CB PRO A 139 -1.659 -0.605 -4.755 1.00 0.00 C ATOM 183 CG PRO A 139 -1.159 -0.939 -3.352 1.00 0.00 C ATOM 184 CD PRO A 139 -0.624 0.400 -2.851 1.00 0.00 C ATOM 0 HA PRO A 139 -2.330 1.348 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -2.401 -1.329 -5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.844 -0.624 -5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -1.960 -1.317 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -0.381 -1.703 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -0.804 0.523 -1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 139 0.452 0.478 -3.004 1.00 0.00 H new ATOM 192 N LYS A 140 -4.632 0.212 -5.028 1.00 0.00 N ATOM 193 CA LYS A 140 -6.077 0.037 -4.737 1.00 0.00 C ATOM 194 C LYS A 140 -6.233 -1.075 -3.655 1.00 0.00 C ATOM 195 O LYS A 140 -6.022 -2.265 -3.911 1.00 0.00 O ATOM 196 CB LYS A 140 -6.814 -0.296 -6.063 1.00 0.00 C ATOM 197 CG LYS A 140 -8.356 -0.309 -5.954 1.00 0.00 C ATOM 198 CD LYS A 140 -9.051 -0.614 -7.296 1.00 0.00 C ATOM 199 CE LYS A 140 -10.585 -0.626 -7.177 1.00 0.00 C ATOM 200 NZ LYS A 140 -11.224 -0.921 -8.472 1.00 0.00 N ATOM 0 H LYS A 140 -4.348 -0.182 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.525 0.947 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -6.522 0.433 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -6.479 -1.272 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -8.657 -1.054 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -8.697 0.659 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.753 0.132 -8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -8.711 -1.581 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -10.888 -1.372 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -10.930 0.341 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -12.258 -0.922 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -10.953 -0.195 -9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -10.913 -1.855 -8.808 1.00 0.00 H new ATOM 213 N GLY A 141 -6.598 -0.623 -2.450 1.00 0.00 N ATOM 214 CA GLY A 141 -6.694 -1.483 -1.244 1.00 0.00 C ATOM 215 C GLY A 141 -5.833 -1.104 -0.012 1.00 0.00 C ATOM 216 O GLY A 141 -5.792 -1.905 0.922 1.00 0.00 O ATOM 0 H GLY A 141 -6.838 0.352 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -7.737 -1.502 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.430 -2.499 -1.536 1.00 0.00 H new ATOM 220 N CYS A 142 -5.191 0.081 0.045 1.00 0.00 N ATOM 221 CA CYS A 142 -4.451 0.552 1.255 1.00 0.00 C ATOM 222 C CYS A 142 -5.366 0.887 2.471 1.00 0.00 C ATOM 223 O CYS A 142 -5.124 0.368 3.564 1.00 0.00 O ATOM 224 CB CYS A 142 -3.558 1.744 0.848 1.00 0.00 C ATOM 225 SG CYS A 142 -2.627 2.390 2.258 1.00 0.00 S ATOM 0 H CYS A 142 -5.165 0.740 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.833 -0.271 1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -2.866 1.431 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.177 2.536 0.426 1.00 0.00 H new ATOM 230 N SER A 143 -6.397 1.728 2.276 1.00 0.00 N ATOM 231 CA SER A 143 -7.387 2.067 3.330 1.00 0.00 C ATOM 232 C SER A 143 -8.637 1.167 3.127 1.00 0.00 C ATOM 233 O SER A 143 -9.503 1.453 2.292 1.00 0.00 O ATOM 234 CB SER A 143 -7.734 3.572 3.260 1.00 0.00 C ATOM 235 OG SER A 143 -6.602 4.374 3.583 1.00 0.00 O ATOM 0 H SER A 143 -6.573 2.195 1.386 1.00 0.00 H new ATOM 0 HA SER A 143 -6.980 1.881 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 143 -8.087 3.821 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 143 -8.549 3.793 3.949 1.00 0.00 H new ATOM 0 HG SER A 143 -6.847 5.322 3.530 1.00 0.00 H new ATOM 241 N LYS A 144 -8.700 0.065 3.899 1.00 0.00 N ATOM 242 CA LYS A 144 -9.804 -0.928 3.811 1.00 0.00 C ATOM 243 C LYS A 144 -10.861 -0.580 4.882 1.00 0.00 C ATOM 244 O LYS A 144 -10.701 -0.751 6.092 1.00 0.00 O ATOM 245 CB LYS A 144 -9.275 -2.377 3.999 1.00 0.00 C ATOM 246 CG LYS A 144 -8.358 -2.889 2.865 1.00 0.00 C ATOM 247 CD LYS A 144 -7.957 -4.369 3.028 1.00 0.00 C ATOM 248 CE LYS A 144 -7.037 -4.868 1.898 1.00 0.00 C ATOM 249 NZ LYS A 144 -6.700 -6.292 2.062 1.00 0.00 N ATOM 250 OXT LYS A 144 -11.998 -0.048 4.328 1.00 0.00 O ATOM 0 H LYS A 144 -7.995 -0.167 4.599 1.00 0.00 H new ATOM 0 HA LYS A 144 -10.256 -0.883 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -8.727 -2.429 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -10.127 -3.050 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -8.867 -2.760 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -7.457 -2.277 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -7.452 -4.500 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -8.857 -4.983 3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.527 -4.718 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.122 -4.276 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.080 -6.594 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -6.210 -6.431 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.572 -6.859 2.049 1.00 0.00 H new TER 264 LYS A 144